N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-chloranyl-benzamide

Systemtic Name: N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-chloranyl-benzamide Openeye Name: N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-chloro-benzamide CAS Name: N-[[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-chlorobenzamide IUPAC Name: N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-chlorobenzamide Traditional Name: N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-3-chloro-benzamide Formula: C21H13BrClN3O2S MolecularWeight: 486.76882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=CC=C4)Cl)Br

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=CC=C4)Cl)Br

InChI

InChI=1S/C21H13BrClN3O2S/c22-16-7-2-1-6-15(16)20-25-17-11-14(8-9-18(17)28-20)24-21(29)26-19(27)12-4-3-5-13(23)10-12/h1-11H,(H2,24,26,27,29)